5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide

C12H11F3N2O2 — CID 142013361

IUPAC5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide
SMILESC=C/C(=C\C=C\NC(=O)c1cnoc1C)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-3-9(12(13,14)15)5-4-6-16-11(18)10-7-17-19-8(10)2/h3-7H,1H2,2H3,(H,16,18)/b6-4+,9-5+
InChIKeyUUPLJWCPCOKJCH-REZHQCRGSA-N
MW272.23 g/mol
LogP2.90
Rot. Bonds4

About 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide (PubChem CID 142013361) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide
PubChem CID142013361
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide
SMILESC=C/C(=C\C=C\NC(=O)c1cnoc1C)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-3-9(12(13,14)15)5-4-6-16-11(18)10-7-17-19-8(10)2/h3-7H,1H2,2H3,(H,16,18)/b6-4+,9-5+
InChIKeyUUPLJWCPCOKJCH-REZHQCRGSA-N
XLogP2.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide (CID 142013361) is 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide is C=C/C(=C\C=C\NC(=O)c1cnoc1C)C(F)(F)F.
What is the InChIKey of 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide?
The InChIKey is UUPLJWCPCOKJCH-REZHQCRGSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-3-9(12(13,14)15)5-4-6-16-11(18)10-7-17-19-8(10)2/h3-7H,1H2,2H3,(H,16,18)/b6-4+,9-5+.
What are the key properties of 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide has a molecular weight of 272.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1E,3E)-4-(trifluoromethyl)hexa-1,3,5-trienyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 142013361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).